N-(4-(N-(4-甲基嘧啶-2-基)氨磺酰)苯基)乙酰胺

• 常用名: N-(4-(N-(4-甲基嘧啶-2-基)氨磺酰)苯基)乙酰胺
• 英文名: N-[4-[[(4-methyl-2-pyrimidinyl)amino]sulphonyl]phenyl]acetamide
• CAS号: 127-73-1
• 分子量: 306.34000
• 密度: 1.429g/cm3
• 沸点: N/A
• 分子式: C₁₃H₁₄N₄O₃S
• 熔点: 250-252°C (lit.)
• 闪点: N/A

名称

• 中文名: N-乙酰磺胺嘧啶
• 英文名: N-Acetylsulfamerazine

物理化学性质

• 密度: 1.429g/cm3
• 熔点: 250-252°C (lit.)
• 分子式: C₁₃H₁₄N₄O₃S
• 分子量: 306.34000
• 精确质量: 306.07900
• PSA: 109.43000
• LogP: 2.77100
• InChIKey: PHFJZKMLXDFUNB-UHFFFAOYSA-N
• SMILES: CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
• 折射率: 1.609
• 储存条件: 2-8°C
• 分子结构:

  1、 摩尔折射率：77.17

  2、 摩尔体积（cm³/mol）：214.3

  3、 等张比容（90.2K）：626.5

  4、 表面张力（dyne/cm）：72.9

  5、 极化率（10-24cm3）：30.59

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:6

  4.可旋转化学键数量:4

  5.互变异构体数量:18

  6.拓扑分子极性表面积109

  7.重原子数量:21

  8.表面电荷:0

  9.复杂度:455

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

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实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

实验名称：Fluorescence polarization-based biochemical high throughput primary assay to identify... 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens] External Id：SIAE_INH_FP_1536_1X%INH PRUN

实验名称：Absorbance-based primary biochemical high throughput screening assay to identify acti... 来源：The Scripps Research Institute Molecular Screening Center 靶标：caspase-3 preproprotein [Homo sapiens] External Id：PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN

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英文别名

• EINECS 204-861-5
• N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide